4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide

C19H16FN5O2 — CID 155523411

IUPAC4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)
InChIKeySRMKBWXYOWWDPG-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.73
Rot. Bonds5

About 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide

4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide (PubChem CID 155523411) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide
PubChem CID155523411
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)
InChIKeySRMKBWXYOWWDPG-UHFFFAOYSA-N
XLogP2.73
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide (CID 155523411) is 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide is NC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The InChIKey is SRMKBWXYOWWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(4-fluorophenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 155523411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).